SCHEMBL7809252

SCHEMBL7809252

CC(O)(c1cc(F)cc(S)c1)c1nccs1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 3/20 0.36
▸ PRKDC P78527 2/20 0.36
▸ ALOX5 P09917 9/20 0.35
▸ MDM2 Q00987 1/20 0.34
▸ AR P10275 1/20 0.33
▸ MAP3K14 Q99558 1/20 0.33
▸ NR1H2 P55055 1/20 0.31
▸ CASR P41180 1/20 0.30
▸ PDE4A P27815 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7810589 0.85 ALOX5 (0.47) ALOX5ARMAP3K14
SCHEMBL7803630 0.82 ALOX5 (0.43) ALOX5AR
SCHEMBL7810295 0.80 AR (0.32) ALOX5AR
SCHEMBL2984624 0.77 KCNH2 (0.41) KCNH2PRKDCALOX5MDM2AR
SCHEMBL8682794 0.74 ALDH1A1 (0.40) KCNH2PRKDCALOX5ARMAP3K14
SCHEMBL31584832 0.71 CASR (0.46) KCNH2PRKDCALOX5MDM2AR
SCHEMBL8614144 0.70 KCNH2 (0.38) KCNH2PRKDCALOX5ARNR1H2
SCHEMBL7810674 0.69 ALOX5 (0.51) ALOX5AR
SCHEMBL8612881 0.68 AR (0.36) KCNH2PRKDCALOX5MDM2AR
SCHEMBL9434600 0.68 KCNH2 (0.44) KCNH2PRKDCALOX5CASR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0788497-B1 BISARYLCARBINOL DERIVATIVES AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS MERCK FROSST CANADA INC (CA) 2001-05-23 — — EP disclosed
EP-0788490-B1 BISARYLCARBINOL CINNAMIC ACIDS AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS MERCK FROSST CANADA INC (CA) 2000-07-05 — — EP disclosed
US-5552437-A ANTIASTHMATIC, ANTIALLERGIC, ANTIINFLAMMATORY, AND CYTOPROTECTIVE AGENTS MERCK FROSST CANADA, INC. (CA) 1996-09-03 — — US disclosed
US-5527827-A ANTIASTHMATIC, ANTIALLERGIC, ANTIINFLAMMATORY AND CYTOPROTECTIVE AGENTS MERCK FROSST CANADA, INC. (CA) 1996-06-18 — — US disclosed
WO-1996013500-A1 BISARYLCARBINOL DERIVATIVES AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS MERCK FROSST CANADA INC. (CA) 1996-05-09 — — WO disclosed
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